ethyl 5-cyano-2-(methylsulfonylmethyl)-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-(methylsulfonylmethyl)-6-[4-[(phenylmethyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)-1-piperidyl]-5-cyano-2-(methylsulfonylmethyl)pyridine-3-carboxylate CAS Name: 5-cyano-2-(methylsulfonylmethyl)-6-[4-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-piperidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-(methylsulfonylmethyl)pyridine-3-carboxylate Traditional Name: 6-[4-(benzylsulfonylcarbamoyl)piperidino]-5-cyano-2-(mesylmethyl)nicotinic acid ethyl ester Formula: C24H28N4O7S2 MolecularWeight: 548.63172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)CS(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)CS(=O)(=O)C

InChI

InChI=1S/C24H28N4O7S2/c1-3-35-24(30)20-13-19(14-25)22(26-21(20)16-36(2,31)32)28-11-9-18(10-12-28)23(29)27-37(33,34)15-17-7-5-4-6-8-17/h4-8,13,18H,3,9-12,15-16H2,1-2H3,(H,27,29)